2-methyl-1-[methyl(2-methylbutoxy)phosphoryl]oxybutane

C11H25O3P — CID 170850967

IUPAC2-methyl-1-[methyl(2-methylbutoxy)phosphoryl]oxybutane
SMILESCCC(C)COP(C)(=O)OCC(C)CC
InChIInChI=1S/C11H25O3P/c1-6-10(3)8-13-15(5,12)14-9-11(4)7-2/h10-11H,6-9H2,1-5H3
InChIKeyRCVIQUCZTKRDDF-UHFFFAOYSA-N
MW236.29 g/mol
LogP3.93
Rot. Bonds8

About 2-methyl-1-[methyl(2-methylbutoxy)phosphoryl]oxybutane

2-methyl-1-[methyl(2-methylbutoxy)phosphoryl]oxybutane (PubChem CID 170850967) has the molecular formula C11H25O3P and a molecular weight of 236.29 g/mol. Its IUPAC name is 2-methyl-1-[methyl(2-methylbutoxy)phosphoryl]oxybutane.

Molecular Properties

Compound Name2-methyl-1-[methyl(2-methylbutoxy)phosphoryl]oxybutane
PubChem CID170850967
Molecular FormulaC11H25O3P
Molecular Weight236.29 g/mol
Exact Mass236.15
IUPAC Name2-methyl-1-[methyl(2-methylbutoxy)phosphoryl]oxybutane
SMILESCCC(C)COP(C)(=O)OCC(C)CC
InChIInChI=1S/C11H25O3P/c1-6-10(3)8-13-15(5,12)14-9-11(4)7-2/h10-11H,6-9H2,1-5H3
InChIKeyRCVIQUCZTKRDDF-UHFFFAOYSA-N
XLogP3.93
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(2S)-1-dimethylphosphoryloxy-2-methylbutane
CID 59885980
2-methyl-1-[methyl(2-methylpentoxy)phosphoryl]oxypentane
CID 566127
fluoro(2-methylbutoxy)phosphinic acid
CID 175014700
2-methyl-1-[methyl(propoxy)phosphoryl]oxypropane
CID 86168978
2-hydroxybutyl 2-methylbutyl hydrogen phosphate
CID 59770810
3-[[2-ethylhexoxy(methyl)phosphoryl]oxymethyl]heptane
CID 566100
1-dimethylphosphoryloxy-3-methylpentane
CID 154090861
2-methyl-1-(2-methylbutoxy)butane
CID 4584641
1-[2-methoxyethoxy(methyl)phosphoryl]oxy-2-methylpropane
CID 170850888
bis(2-methylbutyl) 2,4,4-trimethylpentyl phosphate;propanal
CID 90734732
bis(2,4-dimethylhexoxy)-sulfanyl-sulfanylidene-λ5-phosphane
CID 56996091
tris(5-methylheptyl) phosphate
CID 87189340

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[methyl(2-methylbutoxy)phosphoryl]oxybutane?
The IUPAC name of 2-methyl-1-[methyl(2-methylbutoxy)phosphoryl]oxybutane (CID 170850967) is 2-methyl-1-[methyl(2-methylbutoxy)phosphoryl]oxybutane.
What is the SMILES notation for 2-methyl-1-[methyl(2-methylbutoxy)phosphoryl]oxybutane?
The canonical SMILES for 2-methyl-1-[methyl(2-methylbutoxy)phosphoryl]oxybutane is CCC(C)COP(C)(=O)OCC(C)CC.
What is the InChIKey of 2-methyl-1-[methyl(2-methylbutoxy)phosphoryl]oxybutane?
The InChIKey is RCVIQUCZTKRDDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25O3P/c1-6-10(3)8-13-15(5,12)14-9-11(4)7-2/h10-11H,6-9H2,1-5H3.
What are the key properties of 2-methyl-1-[methyl(2-methylbutoxy)phosphoryl]oxybutane?
2-methyl-1-[methyl(2-methylbutoxy)phosphoryl]oxybutane has a molecular weight of 236.29 g/mol, XLogP of 3.93, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[methyl(2-methylbutoxy)phosphoryl]oxybutane is sourced from PubChem (CID 170850967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).